Name: J5 peptide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584713
Cas No:
常用名:J5 peptide
别名:Myelin basic protein (85-99) antagonist
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-methylbutanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-amino-4-carboxybutanamido]hexanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-methylbutanamido]butanoic acid
InChI key:GCTPUGMTPJIVNC-AYQWIQQISA-N

分子式:C70H114N18O21
分子量:1543.787
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O

J5 peptide是MBP抑制剂，竞争性阻断MBP85-99与HLA-DR2的结合。该肽段能减轻PLP139-151/MBP85-99诱导的小鼠实验性自身免疫性脑脊髓炎(EAE)。J5 peptide主要用于研究炎症和免疫疾病。

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